3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one

C11H20N2O — CID 104788444

IUPAC3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one
SMILESCN(C)CCCCNC1=CC(=O)CC1
InChIInChI=1S/C11H20N2O/c1-13(2)8-4-3-7-12-10-5-6-11(14)9-10/h9,12H,3-8H2,1-2H3
InChIKeyCFUFFIDEARJUSI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.16
Rot. Bonds6

About 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one

3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one (PubChem CID 104788444) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one
PubChem CID104788444
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one
SMILESCN(C)CCCCNC1=CC(=O)CC1
InChIInChI=1S/C11H20N2O/c1-13(2)8-4-3-7-12-10-5-6-11(14)9-10/h9,12H,3-8H2,1-2H3
InChIKeyCFUFFIDEARJUSI-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylamino)propylamino]cyclopent-2-en-1-one
CID 104788205
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]cyclopent-2-en-1-one
CID 104788404
3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
CID 102994053
3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one
CID 106329463
3-(2,3,3-trimethylbutan-2-ylamino)cyclopent-2-en-1-one
CID 130701568
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 114600534
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788468
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione
CID 10193176
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 62862123
3-[3-(dimethylamino)propylamino]-4-(2-hydroxyethylamino)cyclobut-3-ene-1,2-dione
CID 51053784
3-[3-(dimethylamino)propylamino]-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione
CID 51053401

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one (CID 104788444) is 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one is CN(C)CCCCNC1=CC(=O)CC1.
What is the InChIKey of 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one?
The InChIKey is CFUFFIDEARJUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-13(2)8-4-3-7-12-10-5-6-11(14)9-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one?
3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).